## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
C |
101 |
28 |
7912 |
◊ |
A |
x,y,z |
1_555 |
102 |
28 |
8491 |
1014.8 |
-13.6 |
0.057 |
5 |
3 |
0 |
0.089 |
2 |
|
D |
100 |
28 |
7902 |
◊ |
B |
x,y,z |
1_555 |
100 |
27 |
8491 |
1009.8 |
-13.5 |
0.050 |
5 |
2 |
0 |
0.089 |
Average: |
1012.3 |
-13.6 |
0.053 |
5 |
3 |
0 |
0.089 |
2 |
3 |
|
A |
47 |
12 |
8491 |
◊ |
D |
-y,x+1,z+1/4 |
3_565 |
58 |
19 |
7902 |
483.9 |
-2.5 |
0.350 |
9 |
3 |
0 |
0.033 |
4 |
|
B |
44 |
12 |
8491 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
56 |
18 |
7912 |
444.7 |
-2.5 |
0.290 |
7 |
1 |
0 |
0.033 |
Average: |
464.3 |
-2.5 |
0.320 |
8 |
2 |
0 |
0.033 |
3 |
5 |
|
D |
42 |
13 |
7902 |
◊ |
C |
y-1,x,-z-1/4 |
7_454 |
41 |
13 |
7912 |
393.2 |
-2.0 |
0.450 |
5 |
0 |
0 |
0.003 |
4 |
6 |
|
D |
36 |
8 |
7902 |
◊ |
D |
-x-1,y,-z |
5_455 |
36 |
8 |
7902 |
308.1 |
-1.8 |
0.449 |
0 |
0 |
0 |
0.000 |
5 |
7 |
|
C |
31 |
9 |
7912 |
◊ |
D |
-y,x+1,z+1/4 |
3_565 |
29 |
10 |
7902 |
286.5 |
3.3 |
0.853 |
4 |
5 |
0 |
0.000 |
8 |
|
D |
23 |
7 |
7902 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
24 |
9 |
7912 |
198.2 |
3.3 |
0.868 |
3 |
3 |
0 |
0.000 |
Average: |
242.4 |
3.3 |
0.861 |
4 |
4 |
0 |
0.000 |
6 |
9 |
|
C |
33 |
7 |
7912 |
◊ |
C |
-x,y,-z |
5_555 |
33 |
7 |
7912 |
227.2 |
-0.8 |
0.553 |
0 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
19 |
9 |
7912 |
◊ |
B |
x,y,z |
1_555 |
22 |
5 |
8491 |
201.6 |
-0.3 |
0.575 |
2 |
3 |
0 |
0.011 |
11 |
|
D |
19 |
8 |
7902 |
◊ |
A |
x,y,z |
1_555 |
25 |
6 |
8491 |
200.2 |
-0.5 |
0.551 |
4 |
3 |
0 |
0.011 |
Average: |
200.9 |
-0.4 |
0.563 |
3 |
3 |
0 |
0.011 |
8 |
12 |
|
[DTD]D:201 |
8 |
1 |
269 |
f |
D |
x,y,z |
1_555 |
23 |
11 |
7902 |
157.9 |
0.2 |
0.543 |
5 |
0 |
0 |
0.011 |
9 |
13 |
|
[DTD]C:202 |
8 |
1 |
267 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
7912 |
156.4 |
-0.3 |
0.482 |
4 |
0 |
0 |
0.011 |
10 |
14 |
|
B |
17 |
4 |
8491 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
8491 |
143.9 |
-1.6 |
0.363 |
0 |
0 |
0 |
0.004 |
11 |
15 |
|
[GOL]B:201 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
8491 |
141.3 |
1.4 |
0.725 |
5 |
0 |
0 |
0.005 |
12 |
16 |
|
[SO4]A:208 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8491 |
108.9 |
-15.3 |
0.870 |
3 |
0 |
0 |
0.082 |
13 |
17 |
|
[SO4]D:204 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
7902 |
98.3 |
-14.3 |
0.768 |
3 |
0 |
0 |
0.087 |
14 |
18 |
|
[GOL]B:202 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
8491 |
98.3 |
0.3 |
0.558 |
3 |
0 |
0 |
0.006 |
15 |
19 |
|
[GOL]C:201 |
6 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
8491 |
92.8 |
0.8 |
0.672 |
3 |
0 |
0 |
0.003 |
16 |
20 |
|
[SO4]A:209 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
8491 |
89.8 |
-12.8 |
0.704 |
1 |
0 |
0 |
0.066 |
17 |
21 |
|
[SO4]B:208 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
8491 |
87.2 |
-10.9 |
0.402 |
0 |
0 |
0 |
0.061 |
18 |
22 |
|
[GOL]C:201 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
7912 |
84.0 |
0.3 |
0.644 |
4 |
0 |
0 |
0.008 |
19 |
23 |
|
[SO4]B:204 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
8491 |
83.9 |
-12.0 |
0.807 |
4 |
0 |
0 |
0.077 |
20 |
24 |
|
[SO4]A:203 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
8491 |
83.8 |
-12.1 |
0.803 |
4 |
0 |
0 |
0.069 |
21 |
25 |
|
[SO4]C:203 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
7912 |
83.1 |
-12.3 |
0.798 |
3 |
0 |
0 |
0.072 |
22 |
26 |
|
[SO4]D:202 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
7902 |
83.0 |
-12.0 |
0.800 |
3 |
0 |
0 |
0.074 |
23 |
27 |
|
[GOL]B:202 |
6 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
7902 |
83.0 |
0.6 |
0.676 |
3 |
0 |
0 |
0.004 |
24 |
28 |
|
[SO4]A:202 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8491 |
76.8 |
-8.1 |
0.934 |
3 |
0 |
0 |
0.047 |
25 |
29 |
|
B |
12 |
6 |
8491 |
f |
[SO4]C:206 |
-y,x,z+1/4 |
3_555 |
5 |
1 |
185 |
76.0 |
-10.4 |
0.643 |
1 |
0 |
0 |
0.061 |
26 |
30 |
|
[SO4]C:205 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
7912 |
73.7 |
-10.0 |
0.800 |
1 |
0 |
0 |
0.055 |
27 |
31 |
|
[SO4]A:205 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
8491 |
73.2 |
-7.9 |
0.933 |
2 |
0 |
0 |
0.043 |
28 |
32 |
|
[SO4]D:207 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
4 |
7902 |
72.1 |
-10.5 |
0.564 |
0 |
0 |
0 |
0.059 |
29 |
33 |
|
[SO4]B:205 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8491 |
71.8 |
-10.0 |
0.794 |
4 |
0 |
0 |
0.066 |
30 |
34 |
|
[SO4]A:210 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
8491 |
71.8 |
-9.8 |
0.581 |
2 |
0 |
0 |
0.053 |
31 |
35 |
|
[SO4]C:206 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
7912 |
71.8 |
-10.3 |
0.795 |
0 |
0 |
0 |
0.054 |
32 |
36 |
|
[SO4]A:204 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
3 |
8491 |
70.3 |
-10.0 |
0.518 |
2 |
0 |
0 |
0.054 |
33 |
37 |
|
[SO4]A:207 |
4 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
8491 |
69.6 |
-9.9 |
0.780 |
2 |
0 |
0 |
0.054 |
34 |
38 |
|
[SO4]C:207 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
7912 |
67.9 |
-9.2 |
0.812 |
2 |
0 |
0 |
0.053 |
35 |
39 |
|
[SO4]A:201 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
8491 |
66.4 |
-8.4 |
0.840 |
3 |
0 |
0 |
0.048 |
36 |
40 |
|
[SO4]D:203 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
13 |
4 |
7902 |
66.1 |
-9.1 |
0.793 |
1 |
0 |
0 |
0.053 |
37 |
41 |
|
[SO4]B:209 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
8491 |
65.9 |
-9.2 |
0.784 |
4 |
0 |
0 |
0.061 |
38 |
42 |
|
[SO4]B:207 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8491 |
63.6 |
-6.6 |
0.913 |
2 |
0 |
0 |
0.042 |
39 |
43 |
|
[SO4]B:203 |
4 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
8491 |
63.4 |
-7.7 |
0.850 |
4 |
0 |
0 |
0.053 |
40 |
44 |
|
[SO4]B:206 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
8491 |
62.4 |
-9.0 |
0.534 |
1 |
0 |
0 |
0.053 |
41 |
45 |
|
[SO4]A:210 |
5 |
1 |
185 |
◊ |
D |
-y,x+1,z+1/4 |
3_565 |
11 |
3 |
7902 |
62.0 |
-8.5 |
0.715 |
0 |
0 |
0 |
0.040 |
42 |
46 |
|
[SO4]D:205 |
4 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
7902 |
61.0 |
-7.0 |
0.897 |
2 |
0 |
0 |
0.044 |
43 |
47 |
|
[SO4]B:210 |
4 |
1 |
185 |
f |
C |
-y,x,z+1/4 |
3_555 |
11 |
4 |
7912 |
59.6 |
-8.9 |
0.681 |
0 |
0 |
0 |
0.047 |
44 |
48 |
|
[SO4]C:204 |
4 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
4 |
2 |
7912 |
59.0 |
-7.2 |
0.885 |
3 |
0 |
0 |
0.045 |
45 |
49 |
|
[SO4]A:206 |
5 |
1 |
185 |
f |
D |
-y,x+1,z+1/4 |
3_565 |
5 |
3 |
7902 |
53.4 |
-6.7 |
0.584 |
0 |
0 |
0 |
0.038 |
46 |
50 |
|
[SO4]C:208 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
7912 |
45.9 |
-5.6 |
0.708 |
1 |
0 |
0 |
0.032 |
47 |
51 |
|
[SO4]D:208 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
8491 |
45.3 |
-5.5 |
0.797 |
0 |
0 |
0 |
0.027 |
48 |
52 |
|
[SO4]B:210 |
4 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
7902 |
45.3 |
-5.8 |
0.696 |
0 |
0 |
0 |
0.000 |
49 |
53 |
|
[SO4]D:206 |
4 |
1 |
186 |
f |
C |
y-1,x,-z-1/4 |
7_454 |
6 |
2 |
7912 |
44.4 |
-5.0 |
0.870 |
2 |
0 |
0 |
0.031 |
50 |
54 |
|
[SO4]D:208 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
7902 |
42.7 |
-4.8 |
0.839 |
1 |
0 |
0 |
0.013 |
51 |
55 |
|
[SO4]D:206 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
7902 |
42.0 |
-5.2 |
0.745 |
1 |
0 |
0 |
0.004 |
52 |
56 |
|
[DTD]C:202 |
6 |
1 |
267 |
◊ |
A |
x,y,z |
1_555 |
7 |
1 |
8491 |
41.5 |
0.1 |
0.395 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[SO4]D:205 |
4 |
1 |
186 |
◊ |
D |
-x-1,y,-z |
5_455 |
5 |
2 |
7902 |
41.2 |
-5.0 |
0.859 |
1 |
0 |
0 |
0.003 |
54 |
58 |
|
[SO4]A:206 |
3 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
8491 |
40.0 |
-5.1 |
0.461 |
0 |
0 |
0 |
0.024 |
55 |
59 |
|
[DTD]D:201 |
6 |
1 |
269 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
8491 |
39.7 |
-0.9 |
0.344 |
0 |
0 |
0 |
0.005 |
56 |
60 |
|
[SO4]B:208 |
3 |
1 |
187 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
7902 |
37.4 |
-4.5 |
0.645 |
1 |
0 |
0 |
0.027 |
57 |
61 |
|
[SO4]B:210 |
3 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8491 |
36.2 |
-2.6 |
0.975 |
2 |
0 |
0 |
0.019 |
58 |
62 |
|
[SO4]B:208 |
4 |
1 |
187 |
◊ |
C |
-y,x,z+1/4 |
3_555 |
6 |
2 |
7912 |
36.2 |
-4.4 |
0.763 |
0 |
0 |
0 |
0.023 |
59 |
63 |
|
[DTD]D:201 |
2 |
1 |
269 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
8491 |
31.6 |
-0.6 |
0.440 |
0 |
0 |
0 |
0.001 |
60 |
64 |
|
[DTD]C:202 |
2 |
1 |
267 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
8491 |
29.8 |
-0.2 |
0.503 |
0 |
0 |
0 |
0.000 |
61 |
65 |
|
[SO4]A:210 |
3 |
1 |
185 |
◊ |
[SO4]D:204 |
-y,x+1,z+1/4 |
3_565 |
3 |
1 |
185 |
27.5 |
-6.4 |
0.992 |
0 |
0 |
0 |
0.030 |
62 |
66 |
|
[SO4]C:207 |
2 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8491 |
26.3 |
-2.2 |
0.969 |
1 |
0 |
0 |
0.007 |
63 |
67 |
|
[SO4]B:210 |
3 |
1 |
185 |
◊ |
[SO4]B:208 |
x,y,z |
1_555 |
4 |
1 |
187 |
25.2 |
-5.5 |
0.995 |
0 |
0 |
0 |
0.029 |
64 |
68 |
|
[SO4]D:203 |
3 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8491 |
25.0 |
-1.4 |
0.985 |
2 |
0 |
0 |
0.006 |
65 |
69 |
|
[SO4]C:208 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
8491 |
24.6 |
-2.6 |
0.833 |
0 |
0 |
0 |
0.007 |
66 |
70 |
|
A |
2 |
1 |
8491 |
◊ |
A |
-x-1,y,-z |
5_455 |
2 |
1 |
8491 |
22.4 |
-0.7 |
0.196 |
0 |
0 |
0 |
0.000 |
67 |
71 |
|
[SO4]A:207 |
3 |
1 |
185 |
f |
[SO4]A:201 |
x,y,z |
1_555 |
1 |
1 |
186 |
22.2 |
-5.2 |
0.891 |
0 |
0 |
0 |
0.026 |
68 |
72 |
|
[SO4]B:205 |
1 |
1 |
185 |
f |
[SO4]B:203 |
x,y,z |
1_555 |
2 |
1 |
185 |
19.2 |
-4.6 |
0.876 |
0 |
0 |
0 |
0.026 |
69 |
73 |
|
B |
3 |
1 |
8491 |
◊ |
[SO4]C:204 |
-y,x,z+1/4 |
3_555 |
2 |
1 |
186 |
19.1 |
-2.3 |
0.842 |
0 |
0 |
0 |
0.012 |
70 |
74 |
|
[SO4]A:208 |
2 |
1 |
185 |
f |
[SO4]A:202 |
x,y,z |
1_555 |
1 |
1 |
185 |
15.5 |
-3.7 |
0.876 |
0 |
0 |
0 |
0.018 |
71 |
75 |
|
[SO4]C:204 |
3 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
8491 |
11.3 |
-1.5 |
0.671 |
0 |
0 |
0 |
0.004 |
72 |
76 |
|
[GOL]B:201 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
7912 |
10.5 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
73 |
77 |
|
[SO4]A:208 |
2 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
7902 |
9.1 |
-0.8 |
0.941 |
0 |
0 |
0 |
0.002 |
74 |
78 |
|
[GOL]B:201 |
1 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8491 |
2.1 |
0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
75 |
79 |
|
D |
1 |
1 |
7902 |
◊ |
D |
x,-y,-z-1/2 |
6_554 |
1 |
1 |
7902 |
0.7 |
0.0 |
0.722 |
0 |
0 |
0 |
0.000 |
|